SCHEMBL14711700

SCHEMBL14711700

COC(=O)C1(c2ccc(-c3ccc(-c4ocnc4NC(=O)OCc4ccccc4)cc3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.39
GSK3B P49841 1/20 0.39
MGLL Q99685 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2C9 P11712 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38
ABCC3 O15438 1/20 0.38
ABCC4 O15439 1/20 0.38
ABCB11 O95342 1/20 0.38
CYP2C8 P10632 1/20 0.38
ABCB4 P21439 1/20 0.38
LPAR1 Q92633 1/20 0.38
ABCC2 Q92887 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
ENPP2 Q13822 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14790491 0.91 ROCK2 (0.40) ROCK2GSK3BMGLLSMN1; SMN2CYP2C9
SCHEMBL14711731 0.91 MGLL (0.43) ROCK2MGLLSMN1; SMN2CYP2C9NPC1
SCHEMBL14790495 0.85 ROCK2 (0.39) ROCK2MGLLSMN1; SMN2NPC1RAB9A
SCHEMBL14790492 0.85 ROCK2 (0.41) ROCK2GSK3BMGLLSMN1; SMN2NPC1
SCHEMBL9899860 0.84 KCNA3 (0.46) ROCK2MGLLALDH1A1
SCHEMBL14710758 0.82 LPAR1 (0.57) CYP2C9ABCC3ABCC4ABCB11CYP2C8
SCHEMBL14710711 0.82 SMN1; SMN2 (0.41) ROCK2MGLLSMN1; SMN2CYP2C9NPC1
SCHEMBL9900929 0.82 MGLL (0.45) ROCK2GSK3BMGLLSMN1; SMN2CYP2C9
SCHEMBL14711630 0.80 POLB (0.45) ROCK2GSK3BMGLLSMN1; SMN2CYP2C9
SCHEMBL14711064 0.78 SMN1; SMN2 (0.41) ROCK2MGLLSMN1; SMN2CYP2C9NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 ROCK2 1939/4885GSK3B 4049/4885MGLL 102/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.